MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004020
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004020
RECORD_TITLE: ORTHO-METHYLANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-METHYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
DTFKRVXLBCAIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060368
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-3900000000-6946b8ce60a292dc8ca3
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
65 9.4 94
77 27.2 272
79 14 140
91 3.61 36
92 8.1 81
107 46.1 461
122 99.99 999
123 9.3 93
//